Small fix in SF_surfcov_2D plot and mean_MFsurfchem

src_MFsurfchem/MFsurfchem_functions.cpp

@@ -19,6 +19,9 @@ AMREX_GPU_MANAGED amrex::Real MFsurfchem::e_beta;
 AMREX_GPU_MANAGED int MFsurfchem::splitting_MFsurfchem;
 AMREX_GPU_MANAGED int MFsurfchem::conversion_MFsurfchem;
 
+AMREX_GPU_MANAGED int MFsurfchem::mean_MFsurfchem;
+AMREX_GPU_MANAGED GpuArray<amrex::Real, MAX_SPECIES> MFsurfchem::mean_pressure;
+
 void InitializeMFSurfchemNamespace()
 {
     // extract inputs parameters
@@ -87,6 +90,17 @@ void InitializeMFSurfchemNamespace()
     if ( (n_ads_spec + conversion_MFsurfchem) > nspecies) {
         Abort("ERROR: desorption species is not included in nspecies");
     }
+
+    // Use equilibrium (mean) values of pressure and temperature to calculate adsorption rate
+    mean_MFsurfchem = 0; // default value
+    pp.query("mean_MFsurfchem",mean_MFsurfchem);
+    if (mean_MFsurfchem > 0) {
+        std::vector<amrex::Real> mean_pressure_tmp(MAX_SPECIES);
+        pp.queryarr("mean_pressure",mean_pressure_tmp,0,n_ads_spec); // mean partial pressure of adsorption species
+        for (int m=0;m<n_ads_spec;m++) {
+            mean_pressure[m] = mean_pressure_tmp[m];
+        }
+    }
     return;
 }
 
@@ -172,8 +186,17 @@ void sample_MFsurfchem(MultiFab& cu, MultiFab& prim, MultiFab& surfcov, MultiFab
 
                     amrex::Real theta = surfcov_arr(i,j,k,m);
 
-  		    amrex::Real meanNads = ads_rate_const[m]*pres*(1-sumtheta)*Ntot*dt*pow(tempratio,k_beta);
-                    amrex::Real meanNdes = des_rate[m]*theta*Ntot*dt;
+                    amrex::Real meanNads;
+                    amrex::Real meanNdes;
+
+                    if (mean_MFsurfchem==0) {
+                        meanNads = ads_rate_const[m]*pres*(1-sumtheta)*Ntot*dt*pow(tempratio,k_beta);
+                        meanNdes = des_rate[m]*theta*Ntot*dt;
+                    }
+                    else {
+                        meanNads = ads_rate_const[m]*mean_pressure[m]*(1-sumtheta)*Ntot*dt; // tempratio = 1
+                        meanNdes = des_rate[m]*theta*Ntot*dt;
+                    }
 
                     amrex::Real Nads;
                     amrex::Real Ndes;

src_MFsurfchem/MFsurfchem_namespace.H

@@ -18,4 +18,7 @@ namespace MFsurfchem {
     extern AMREX_GPU_MANAGED int splitting_MFsurfchem;
     extern AMREX_GPU_MANAGED int conversion_MFsurfchem;
 
+    extern AMREX_GPU_MANAGED int mean_MFsurfchem;
+    extern AMREX_GPU_MANAGED GpuArray<amrex::Real, MAX_SPECIES> mean_pressure;
+
 }

src_compressible_stag/main_driver.cpp

@@ -1652,7 +1652,7 @@ void main_driver(const char* argv)
             //
             // 
 
-            if (n_ads_spec > 0 && surfCov_has_multiple_cells) {
+            if (do_2D && n_ads_spec > 0 && surfCov_has_multiple_cells) {
 
                 MultiFab surfcov_mag, surfcov_realimag;